Reserpine
PubChem CID: 5770
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| Compound Synonyms | reserpine, 50-55-5, Serpalan, Apoplon, Serpasil, Alserin, Hypersil, Sandril, Deserpine, Elserpine, Hiserpia, Rau-Sed, Rausedyl, Rauwasedin, Reserpin, Reserpina, Serpanray, Serpivite, Resine, Rivasin, Serpate, Ascoserpina, Austrapine, Bioserpine, Carditivo, Carrserp, Enipresser, Escaspere, Eserpine, Eskaserp, Eskaserpine, Helfoserpin, Hiposerpil, Hypersine, Idsoserp, Interpina, Lemiserp, Loweserp, Maviserpin, Mayserpine, Mephaserpin, Neoserfin, Purserpine, Quiescin, Raudiford, Raudixoid, Rauloydin, Raumorine, Raunervil, Raunorine, Raupasil, Rausedan, Rausedil, Rauserpine, Rauserpol, Rausingle, Rauwilid, Rauwipur, Rauwoleaf, Resedrex, Reserbal, Resercaps, Resercen, Reserfia, Reserjen, Reserlor, Reserpal, Reserpamed, Reserpanca, Reserpene, Reserpex, Reserpil, Reserpoid, Respital, Roxinoid, Alkarau, Apsical, Banasil, Benazyl, Kitine, Neoserp, Raucap, Raugal, Raulen, Raupoid, Raurine, Rausan, Rautrin, Rauvlid, Rawilid, Reserp, Restran, Riserpa, (-)-Reserpine, Key-serpine, Crystoserpine, Klimanosid, Mallopress, Reserpidefe, Reserpinum, 3P Reserp, Carpacil, Gilucard, Hydropine, Hydroserp, Rauwita, Recipin, Resaltex, Resedril, Serpine, Neo-antitensol, Rauserpin-Alk, Hydromox-R, Rese-lar, Reser-ar, Diurese-R, Hydrosine 25, Hydroserpalan, Temposerpine, Eberpine, Reserpur, Residine, Resocalm, Rezerpin, Sedaraupin, Sedaraupina, Serfolia, Serolfia, Serpaloid, Serpasol, Serpazol, Serpentil, Serpentina, Serpicon, Serpiloid, Serpogen, Triserpin, Sandron, Sedserp, Serfin, Serpen, Serpena, Serpoid, Serpone, Sertabs, Sertens, Sertina, Unilord, Roxel, Diupres 250, Diupres 500, l-Carpserp, Vio-Serpine, SK-Reserpine, Hydroserpine Plus, T-Serp, Chloroserp-250, Chloroserp-500, Chloroserpin-250, 3,4,5-Trimethoxybenzoyl methyl reserpate, Chloroserpine-500, Hydro-Reserpine-25, Hydro-Reserpine-50, Metatensin, Resperin, Serpipur, Ryser, Tempo-Reserpina, R-e-s, Caswell No. 722A, ENT 50146, Rcra waste number U200, NCI-C50157, V-Serp, Usaf cb-27, CCRIS 550, H 520, HSDB 213, Raunova, Residin, Serpivate, Serpasil premix, Reserpina [INN-Spanish], EINECS 200-047-9, UNII-8B1QWR724A, Cardioserpin, Hypertensan, NSC-59272, Orthoserpina, Pressimedin, Tensionorme, Adelfan, Adelphin, Alkaserp, Ascoserp, Banisil, Brinderdin, Briserine, Darebon, Ebserpine, Elfanex, Hexaplin, Hydropres, Idoserp, Modenol, Neoslowten, Perskleran, Raudixin, Reserutin, Resperine, Salupres, Seominal, Serp-AFD, Serpilum, Supergan, Tensanyl, Tensional, Terbolan, Transerpin, Tylandril, Abesta, Abicol, EPA Pesticide Chemical Code 123101, NSC 237659, NSC-237659, BRN 0102014, 8B1QWR724A, Hypercal B, DTXSID7021237, CHEBI:28487, Renese R, AI3-50146, NSC59272, Serpine (pharmaceutical), ENT-50146, MFCD00005091, CHEMBL772, Methyl reserpate 3,4,5-trimethoxybenzoic acid ester, Broserpine, Sederaupin, Serpaneurona, Tefaserpina, Tenserpinie, Tepserpine, Eberspine, Reserpka, Resiatric, Rivased, Rolserp, Roxynoid, Serpazil, Serpedin, Serpentin, Serpyrit, Sertensin, Serpil, Hypertane forte, Solfo serpine, DTXCID201237, 50-55-5 (free), Reserpic acid methyl ester 3,4,5-trimethoxybenzoate (ester), Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-, .gamma.-Serpine, Reserpine [USP:INN:BAN:JAN], Butiserpazide-25, UNIPRES COMPONENT RESERPINE, Marnitension simple, DRALSERP COMPONENT RESERPINE, NAQUIVAL COMPONENT RESERPINE, REGROTON COMPONENT RESERPINE, 4-25-00-01319 (Beilstein Handbook Reference), HYDROPRES COMPONENT RESERPINE, RENESE-R COMPONENT RESERPINE, HYDRAP-ES COMPONENT RESERPINE, CAM-AP-ES COMPONENT RESERPINE, METATENSIN COMPONENT RESERPINE, SALUTENSIN COMPONENT RESERPINE, SER-A-GEN COMPONENT RESERPINE, SER-AP-ES COMPONENT RESERPINE, Metatensin #2, Metatensin #4, H.R.-50 COMPONENT RESERPINE, HYDROMOX R COMPONENT RESERPINE, 11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester, component of Naquival, component of Regroton, DIUTENSEN-R COMPONENT RESERPINE, Hydropres 25, Hydropres 50, (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, HYDRO-RESERP COMPONENT RESERPINE, component of Renese R, DEMI-REGROTON COMPONENT RESERPINE, component of Metatensin, gammaserpine, nembuserpin, NCGC00091250-04, SERPASIL-ESIDRIX COMPONENT RESERPINE, neo-serp, RESERPINE (IARC), RESERPINE [IARC], component of Butiserpazide, Reserpina (INN-Spanish), SERPASIL-APRESOLINE COMPONENT RESERPINE, RESERPINE (MART.), RESERPINE [MART.], Hydroserpine #1, RESERPINE (USP-RS), RESERPINE [USP-RS], 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate, methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate, C33H40N2O9, HYDROSERPINE PLUS (R-H-H) COMPONENT RESERPINE, VIXO, Hydro-Fluserpine #1, RESERPINE (EP MONOGRAPH), RESERPINE [EP MONOGRAPH], l -Carpserp, RESERPINE (USP MONOGRAPH), Reserpine (USP:INN:BAN:JAN), RESERPINE [USP MONOGRAPH], 3,5-Trimethoxybenzoyl methyl reserpate, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-bis(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate, SMR000059122, Apoplon (TN), Methylreserpate 3,4,5-trimethoxybenzoic acid, Methyl reserpate 3,5-trimethyloxybenzoic acid, Methyl reserpate 3,5-trimethoxybenzoic acid ester, Methyl reserpate 3,4,5-trimethoxybenzoate (ester), Methylreserpate 3,4,5-Trimethoxybenzoic acid ester, RCRA waste no. U200, Trichlortensin, Hiposepil, Serathide, Serpazide, Rezide, Reserpine?, Salazide-Demi, Tri-Hydroserpine, WLN: T F6 D5 C666 EM ON&&TTTJ HO1 SOVR CO1 DO1 EO1& TO1 UVO1, CAS-50-55-5, Reserpine,(S), Serpalan (TN), (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester, 3-.beta., 18-.beta.-hydroxy-11,17-.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester), 3.beta., 18.beta.-hydroxy-11,17.alpha.-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester), Benz[g]indolo[2, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2,11-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate, METHYL (3beta,16beta,17alpha,18beta,20alpha)-11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)YOHIMBAN-16-CARBOXYLATE, methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate, Yohimban-16-carboxylic acid,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, Prestwick_147, Reserpine, 99%, Reserpine (Standard), Spectrum_000109, RESERPINE [INN], RESERPINE [JAN], RESERPINE [MI], 79 more names available, RESERPINE [HSDB], Prestwick0_000875, Prestwick1_000875, Prestwick2_000875, Prestwick3_000875, Spectrum3_000894, Spectrum4_000989, Spectrum5_001415, RESERPINE [VANDF], RESERPINUM [HPUS], methyl o-(3,4,5-trimethoxybenzoyl)reserpate, R 0875, RESERPINE [WHO-DD], RESERPINE [WHO-IP], SCHEMBL2589, Lopac0_000073, BSPBio_000949, KBioGR_001397, KBioSS_000549, Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate 3,4,5-trimethoxybenzoate (ester), methyl dimethoxy-(3,4,5-trimethoxybenzoyl)oxy-[?]carboxylate, MLS002154046, MLS006011754, DivK1c_000012, SPECTRUM1500526, Reserpine - Bio-X trade mark, SPBio_002870, Reserpine (JP18/USP/INN), BPBio1_001045, GTPL4823, MEGxp0_001904, RESERPINE [ORANGE BOOK], Yohimban-16-carboxylic acid derivative of benz(g)indolo(2,3-a)quinolizine, ACon1_000086, HMS500A14, HY-N0480R, KBio1_000012, KBio2_000549, KBio2_003117, KBio2_005685, KBio3_001808, C02AA02, NINDS_000012, RESERPINUM [WHO-IP LATIN], HMS1570P11, HMS1920P04, HMS2092G05, HMS2097P11, HMS2234E24, HMS3260O07, HMS3413D20, HMS3677D20, HMS3714P11, HMS3884I21, Pharmakon1600-01500526, HY-N0480, Reserpine, Vetec(TM) reagent grade, RKL10049, Tox21_111107, Tox21_202395, Tox21_300537, Tox21_500073, BBL028800, BDBM50017712, HB1895, NSC237659, NSC757309, STK801975, RESERPINE COMPONENT OF UNIPRES, AKOS000277559, RESERPINE COMPONENT OF DRALSERP, RESERPINE COMPONENT OF NAQUIVAL, RESERPINE COMPONENT OF REGROTON, Tox21_111107_1, CCG-204168, CS-1913, DB00206, FR09862, KS-5106, LP00073, NSC-757309, RESERPINE COMPONENT OF HYDROPRES, RESERPINE COMPONENT OF RENESE-R, SDCCGSBI-0050061.P005, IDI1_000012, RESERPINE COMPONENT OF CAM-AP-ES, RESERPINE COMPONENT OF HYDRAP-ES, RESERPINE COMPONENT OF METATENSIN, RESERPINE COMPONENT OF SALUTENSIN, RESERPINE COMPONENT OF SER-A-GEN, RESERPINE COMPONENT OF SER-AP-ES, NCGC00091250-01, NCGC00091250-02, NCGC00091250-03, NCGC00091250-05, NCGC00091250-06, NCGC00091250-07, NCGC00091250-08, NCGC00091250-09, NCGC00091250-10, NCGC00091250-12, NCGC00091250-14, NCGC00091250-25, NCGC00254489-01, NCGC00259944-01, NCGC00260758-01, RESERPINE COMPONENT OF H.R.-50, RESERPINE COMPONENT OF HYDROMOX R, (1S,2R,3R,4aS,13bR,14aS)-methyl 2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- methyl ester 3,4,5-trimethoxybenzoate (ester), AC-13142, AC-34405, BR164333, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate, methyl 11,17alpha-dimethoxy-18beta-(3,4,5-trimethoxybenzoyloxy)-3beta,20alpha-yohimbane-16beta-carboxylate, NCI60_004446, RESERPINE COMPONENT OF DIUTENSEN-R, RESERPINE COMPONENT OF HYDRO-RESERP, SBI-0050061.P004, RESERPINE COMPONENT OF DEMI-REGROTON, EU-0100073, NS00000355, Reserpine, crystallized, >=99.0% (HPLC), SW196458-3, UNM000011053801, EN300-84477, RESERPINE COMPONENT OF SERPASIL-ESIDRIX, C06539, D00197, AB01562943_01, RESERPINE COMPONENT OF SERPASIL-APRESOLINE, AE-508/21131019, AJ-160/21107004, Q407841, BRD-K95921201-001-07-0, BRD-K95921201-001-12-0, BRD-K95921201-001-13-8, BRD-K95921201-001-14-6, BRD-K95921201-001-15-3, Methyl reserpate, 3,4,5-Trimethoxybenzoic acid ester, Reserpine, certified reference material, TraceCERT(R), RESERPINE COMPONENT OF HYDROSERPINE PLUS (R-H-H), Z1251172867, Reserpine, European Pharmacopoeia (EP) Reference Standard, Reserpine Standard for LC-MS, analytical standard, for LC-MS, Reserpine, United States Pharmacopeia (USP) Reference Standard, Reserpine, Pharmaceutical Secondary Standard, Certified Reference Material, HYDRALAZINE HYDROCHLORIDE-HYDROCHLOROTHIAZIDE-RESERPINE COMPONENT RESERPINE, (1S,2R,3R,4aS,13bR,14aS)-methyl2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate, (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18- [(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxyl ic acid methyl ester, 200-047-9, 3BETA,20ALPHA-YOHIMBAN-16BETA-CARBOXYLIC ACID, 18BETA-HYDROXY-11,17ALPHA-DIMETHOXY-, METHYL ESTER, 3,4,5-TRIMETHOXYBENZOATE, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-methyl ester 3,4,5-trimethoxybenzoate (ester), Methyl (3R,16S,17R,18R,20S)-11,17-dimethoxy-18-(3,4,5-trimethoxybenzoyloxy)yohimban-16-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate, methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate, METHYL (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)YOHIMBAN-16-CARBOXYLATE, methyl (4R)-11,17beta-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate, METHYL 18.BETA.-HYDROXY-11,17.ALPHA.-DIMETHOXY-3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLATE 3,4,5-TRIMETHOXYBENZOATE (ESTER)., METHYL 18beta-HYDROXY-11,17alpha-DIMETHOXY-3beta,20alpha-YOHIMBAN-16beta-CARBOXYLATE 3,4,5-TRIMETHOXYBENZOATE (ESTER)., methyl(1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, YOHIMBAN-16-CARBOXYLIC ACID,11,17-DIMETHOXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3BETA,16BETA,17ALPHA,18BETA,20ALPHA)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CC1CCC2CC3C(CCC4C5CCCCC5CC34)CC2C1)C1CCCCC1 |
| Np Classifier Class | Corynanthe type, Yohimbine-like alkaloids |
| Deep Smiles | COcccccc6)[nH]cc5CCN[C@@H]6C[C@H][C@@H]C6)C[C@H][C@@H][C@H]6C=O)OC))))OC)))OC=O)cccOC))ccc6)OC)))OC |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Yohimbine alkaloids |
| Scaffold Graph Node Level | OC(OC1CCC2CC3C4NC5CCCCC5C4CCN3CC2C1)C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1000.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | P20815, Q92887, O95342, P08183, Q05940, O15245, O15244, Q9NY46, Q27963, Q9UNQ0, P0A0J7, P11387, P02545, Q03164, n.a., B2RXH2, Q99714, P55210, P16473, Q9NUW8, P10636, P0A6C1, P00352, Q01453, Q194T2, P16050, P28482, Q9Y468, P15917, P54132, P08482, P40225, P29466, P68871, Q6W5P4, P06746, P08684, O75496, O75164, Q16236, Q92830, Q99549, Q96KQ7, O15648, P83916, Q9UIF8, Q96QE3, Q13526, Q13951, P11473, P19793, O95149, P03372, P10828, Q96RI1, P04150, O89049, P49798, P39748, Q9UNA4, P10275, Q9Y253, Q12809, Q03181, P37231, O94782, P35372, P25094, Q8IUX4, Q63089, P06795, P21447, P19838, P43220, P10145, P51449, O94956, Q9NPD5, Q9Y6L6, O42275, P81908, O75874, Q9NR56, O15438, O15439, Q8BRU6, P28223, P0DTD1 |
| Iupac Name | methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Prediction Hob | 1.0 |
| Class | Yohimbine alkaloids |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Target Id | NPT668, NPT1422, NPT143, NPT483, NPT48, NPT149, NPT1038, NPT1226, NPT210, NPT50, NPT51, NPT94, NPT796, NPT792, NPT282, NPT864, NPT58, NPT96, NPT277, NPT2930, NPT1416, NPT59, NPT109, NPT10, NPT145, NPT713, NPT612 |
| Xlogp | 4.0 |
| Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C33H40N2O9 |
| Scaffold Graph Node Bond Level | O=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QEVHRUUCFGRFIF-MDEJGZGSSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.5151515151515151 |
| Logs | -5.056 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 3.736 |
| Synonyms | (-)-Reserpine, (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, 3,4,5-Trimethoxybenzoyl methyl reserpate, Apoplon, Reserpin, Serpalan, (3b,16b,17a,18b,20a)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate methyl ester, (3b,16b,17a,18b,20a)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-11,17-Dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate methyl ester, (3Β,16β,17α,18β,20α)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate methyl ester, (3Β,16β,17α,18β,20α)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester, 3,4,5-Trimethoxybenzoyl methyl reserpic acid, Rausedil, Serpasil, V Serp, V-Serp, Raupasil, Serpivite, Raunervil, Vitarine brand OF reserpine, Rausedyl, Vangarde brand OF reserpine, reserpine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, COC, COC(C)=O, cC(=O)OC, cOC, c[nH]c |
| Compound Name | Reserpine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 608.273 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 608.273 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 608.7 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -5.751338327272728 |
| Inchi | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 |
| Smiles | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| Nring | 6.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Yohimbine alkaloids |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Pulchellus (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alstonia Scholaris (Plant) Rel Props:Reference:ISBN:9780387706375 - 3. Outgoing r'ship
FOUND_INto/from Alstonia Venenata (Plant) Rel Props:Reference:ISBN:9788185042053 - 4. Outgoing r'ship
FOUND_INto/from Alstonia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Brugmansia Arborea (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:ISBN:9788172361150 - 7. Outgoing r'ship
FOUND_INto/from Gynura Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ipomoea Alba (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Rauvolfia Micrantha (Plant) Rel Props:Reference:ISBN:9780387706375 - 11. Outgoing r'ship
FOUND_INto/from Rauvolfia Serpentina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Rauvolfia Tetraphylla (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172361150; ISBN:9788185042053 - 13. Outgoing r'ship
FOUND_INto/from Rauvolfia Verticillata (Plant) Rel Props:Source_db:npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Rauvolfia Vomitoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Rauvolfia Yunnanensis (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Ruta Oreojasme (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Vinca Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all